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SMILES: Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F

InChI Key: InChIKey=TXIPTDIJYHJQCE-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 387083   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Coagulation factor X


(Homo sapiens (Human))
BDBM387083
PNG
(4-(4-(1-(3-Fluoronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-20-13-16-3-1-2-4-17(16)14-21(20)35-23-19(24(31-35)26(28,29)30)7-10-33(25(23)37)18-5-8-32(9-6-18)34-11-12-38-15-22(34)36/h1-4,13-14,18H,5-12,15H2
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor X


(Rattus norvegicus (rat))
BDBM387083
PNG
(4-(4-(1-(3-Fluoronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-20-13-16-3-1-2-4-17(16)14-21(20)35-23-19(24(31-35)26(28,29)30)7-10-33(25(23)37)18-5-8-32(9-6-18)34-11-12-38-15-22(34)36/h1-4,13-14,18H,5-12,15H2
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Factor Xa (human or rat): In the assay for measuring the inhibition of human or rat factor Xa activity, Tris-HCl buffer (50 mM, pH 8.3, 150 mM NaCl) ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Coagulation factor V/Coagulation factor X/Serine/threonine-protein kinase BRSK2


(Homo sapiens (Human))
BDBM387083
PNG
(4-(4-(1-(3-Fluoronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-20-13-16-3-1-2-4-17(16)14-21(20)35-23-19(24(31-35)26(28,29)30)7-10-33(25(23)37)18-5-8-32(9-6-18)34-11-12-38-15-22(34)36/h1-4,13-14,18H,5-12,15H2
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<10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Prothrombinase Assay:The effect of test compounds on prothrombinase activity is measured via thrombin generation. Briefly, 12.5 μL human factor ...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Serine protease 1


(Homo sapiens (Human))
BDBM387083
PNG
(4-(4-(1-(3-Fluoronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-20-13-16-3-1-2-4-17(16)14-21(20)35-23-19(24(31-35)26(28,29)30)7-10-33(25(23)37)18-5-8-32(9-6-18)34-11-12-38-15-22(34)36/h1-4,13-14,18H,5-12,15H2
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>1.00E+3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Trypsin: In the assay for measuring the inhibition of human trypsin activity buffer (50 mM Tris, pH 8.2, and 20 mM CaCl2) is used. The IC50 is measur...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair
Prothrombin


(Homo sapiens (Human))
BDBM387083
PNG
(4-(4-(1-(3-Fluoronaphthalen-2-yl)-7-oxo-3-(trifluo...)
Show SMILES Fc1cc2ccccc2cc1-n1nc(c2CCN(C3CCN(CC3)N3CCOCC3=O)C(=O)c12)C(F)(F)F
Show InChI InChI=1S/C26H25F4N5O3/c27-20-13-16-3-1-2-4-17(16)14-21(20)35-23-19(24(31-35)26(28,29)30)7-10-33(25(23)37)18-5-8-32(9-6-18)34-11-12-38-15-22(34)36/h1-4,13-14,18H,5-12,15H2
PDB

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antibodypedia
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UniChem
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>1.00E+3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
Thrombin: In the assay for measuring the inhibition of human thrombin activity buffer (10 mM HEPES buffer, pH 7.4, 2 mM CaCl2) is used. The IC50 is m...


J Med Chem 51: 1681-94 (2008)


BindingDB Entry DOI: 10.7270/Q2F1921P
More data for this
Ligand-Target Pair